Basic information
- CAS
1533749-81-3- Standard SMILES
Cc1cc(CO)cnc1N1CC(C)SC(C)C1- InChIKey
XNOGBHHAEGHQGR-UHFFFAOYSA-N- Molecular formula
- C13H20N2OS
- Average molar mass
- 252.38 g/mol
- Monoisotopic mass
- 252.12963444
Names & identifiers
- Preferred name
- 3-Pyridinemethanol, 6-(2,6-dimethyl-4-thiomorpholinyl)-5-methyl-
- IUPAC
- [6-(2,6-dimethylthiomorpholin-4-yl)-5-methyl-3-pyridinyl]methanol
Names & synonyms
DTXSID701170380AKOS019195314[6-(2,6-Dimethylthiomorpholin-4-yl)-5-methylpyridin-3-yl]methanol3-Pyridinemethanol, 6-(2,6-dimethyl-4-thiomorpholinyl)-5-methyl-1533749-81-3
Database identifiers
- CAS
1533749-81-3- PubChem CID
- 80628720
- DTXSID
DTXSID701170380
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 61.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 242
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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